| CAS Number | 1041608-95-0 |
| Catalog Number | AG01B8J1 |
| Chemical Name | 2-[4-(2-methylbutan-2-yl)cyclohexyl]acetic acid |
| IUPAC Name | 2-[4-(2-methylbutan-2-yl)cyclohexyl]acetic acid |
| InChI | InChI=1S/C13H24O2/c1-4-13(2,3)11-7-5-10(6-8-11)9-12(14)15/h10-11H,4-9H2,1-3H3,(H,14,15) |
| InChI Key | ROHHLOLAGSKPNN-UHFFFAOYSA-N |
| MDL Number | MFCD11123268 |
| Molecular Formula | C13H24O2 |
| Molecular Weight | 212.3285 |
| SMILES | CCC(C1CCC(CC(O)=O)CC1)(C)C |
| Synonyms | 2-[4-(2-methylbutan-2-yl)cyclohexyl]acetic acid,
1041608-95-0,
SCHEMBL584738,
ZINC21518410,
AKOS009221352,
Z2028214386,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.333g/mol |
| Monoisotopic Mass | 212.178g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
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Certificate of Analysis
Lot Number